CID 14149607

113869-07-1

Structural Information

Molecular Formula
C20H22F3NO2
SMILES
CC1(CCN2CCC(C3=C4C(=CC1=C32)C(=CC(=O)O4)C(F)(F)F)(C)C)C
InChI
InChI=1S/C20H22F3NO2/c1-18(2)5-7-24-8-6-19(3,4)15-16(24)13(18)9-11-12(20(21,22)23)10-14(25)26-17(11)15/h9-10H,5-8H2,1-4H3
InChIKey
WXAVVANKJAFARU-UHFFFAOYSA-N
Compound name
10,10,16,16-tetramethyl-6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

365.16028 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16756 187.2
[M+Na]+ 388.14950 198.3
[M-H]- 364.15300 188.3
[M+NH4]+ 383.19410 205.0
[M+K]+ 404.12344 193.6
[M+H-H2O]+ 348.15754 176.1
[M+HCOO]- 410.15848 194.6
[M+CH3COO]- 424.17413 196.6
[M+Na-2H]- 386.13495 192.3
[M]+ 365.15973 185.4
[M]- 365.16083 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.